N-tert-butyl-4-chloro-2-nitroaniline
TL;DR: N-tert-butyl-4-chloro-2-nitroaniline (CAS 874780-68-4) is a chemical compound with molecular formula C10H13ClN2O2 and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-chloro-2-nitroaniline
Also Known As: N-tert-butyl-4-chloro-2-nitroaniline, N-tert-butyl-4-chloro-2-nitro-aniline, N-(tert-butyl)-4-chloro-2-nitroaniline, (tert-butyl)(4-chloro-2-nitrophenyl)amine, Benzenamine, 4-chloro-N-(1,1-dimethylethyl)-2-nitro
| Molecular Formula | C10H13ClN2O2 |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 3.4586 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.06656 |
| Heavy Atoms | 15 |
| Complexity | 385.49905 |
Chemical Identifiers
| CAS Number | 874780-68-4 |
|---|---|
| SMILES | CC(C)(C)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
N-tert-butyl-4-chloro-2-nitroaniline (CAS 874780-68-4), with molecular formula C10H13ClN2O2 and molecular weight 228.07 g/mol. IUPAC: N-tert-butyl-4-chloro-2-nitroaniline.
Chemical Property Profile of N-tert-butyl-4-chloro-2-nitroaniline
Property Insights of N-tert-butyl-4-chloro-2-nitroaniline
The XLogP value of 3.4586 indicates that N-tert-butyl-4-chloro-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, N-tert-butyl-4-chloro-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-4-chloro-2-nitroaniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-tert-butyl-4-chloro-2-nitroaniline?
The CAS number of N-tert-butyl-4-chloro-2-nitroaniline is 874780-68-4.
What is the molecular formula of N-tert-butyl-4-chloro-2-nitroaniline?
The molecular formula of N-tert-butyl-4-chloro-2-nitroaniline is C10H13ClN2O2.
What is the molecular weight of N-tert-butyl-4-chloro-2-nitroaniline?
The molecular weight of N-tert-butyl-4-chloro-2-nitroaniline is 228.07 g/mol.
Where can I buy N-tert-butyl-4-chloro-2-nitroaniline?
You can request a quote for N-tert-butyl-4-chloro-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-4-chloro-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-4-chloro-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.